N-(2-amino-1-cyclohexylethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide

C18H23N5O3 — CID 119590853

IUPACN-(2-amino-1-cyclohexylethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
SMILESNCC(NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1
InChIInChI=1S/C18H23N5O3/c19-12-17(13-5-2-1-3-6-13)20-18(24)16-9-10-22(21-16)14-7-4-8-15(11-14)23(25)26/h4,7-11,13,17H,1-3,5-6,12,19H2,(H,20,24)
InChIKeyZFOWARGSPBQEEF-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.42
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide

N-(2-amino-1-cyclohexylethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide (PubChem CID 119590853) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
PubChem CID119590853
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-(2-amino-1-cyclohexylethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
SMILESNCC(NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1
InChIInChI=1S/C18H23N5O3/c19-12-17(13-5-2-1-3-6-13)20-18(24)16-9-10-22(21-16)14-7-4-8-15(11-14)23(25)26/h4,7-11,13,17H,1-3,5-6,12,19H2,(H,20,24)
InChIKeyZFOWARGSPBQEEF-UHFFFAOYSA-N
XLogP2.42
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-1-(3-nitrophenyl)triazole-4-carboxamide;hydrochloride
CID 119591325
N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide
CID 119617805
N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 119617682
N-[(1R)-3-amino-1-cyclohexyl-3-oxopropyl]-1-phenylpyrazole-3-carboxamide
CID 95787088
N-(2-amino-2-oxoethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 60959424
N-[3-(aminomethyl)pentan-3-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119570628
3-methyl-2-[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]butanoic acid
CID 119170073
1-(3-nitrophenyl)-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide
CID 46437483
N-[(3-hydroxycyclohexyl)methyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 111460182
4-methoxy-2-[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]butanoic acid
CID 120703063
N-[(2S)-1-aminopropan-2-yl]-1-(3-nitrophenyl)triazole-4-carboxamide
CID 120505265
N-(2-methylpiperidin-4-yl)-1-(3-nitrophenyl)pyrazole-3-carboxamide;hydrochloride
CID 120599281

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide (CID 119590853) is N-(2-amino-1-cyclohexylethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide is NCC(NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide?
The InChIKey is ZFOWARGSPBQEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c19-12-17(13-5-2-1-3-6-13)20-18(24)16-9-10-22(21-16)14-7-4-8-15(11-14)23(25)26/h4,7-11,13,17H,1-3,5-6,12,19H2,(H,20,24).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide?
N-(2-amino-1-cyclohexylethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 119590853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).